N-(3-amino-2-methylidenebut-3-enyl)-1-(3-aminoprop-1-en-2-yl)-4-methylpyrrolidine-2-carboxamide;heptane

C21H40N4O — CID 143025426

IUPACN-(3-amino-2-methylidenebut-3-enyl)-1-(3-aminoprop-1-en-2-yl)-4-methylpyrrolidine-2-carboxamide;heptane
SMILESC=C(N)C(=C)CNC(=O)C1CC(C)CN1C(=C)CN.CCCCCCC
InChIInChI=1S/C14H24N4O.C7H16/c1-9-5-13(18(8-9)11(3)6-15)14(19)17-7-10(2)12(4)16;1-3-5-7-6-4-2/h9,13H,2-8,15-16H2,1H3,(H,17,19);3-7H2,1-2H3
InChIKeyYDLDSCIYLXTUBQ-UHFFFAOYSA-N
MW364.58 g/mol
LogP3.29
Rot. Bonds10

About N-(3-amino-2-methylidenebut-3-enyl)-1-(3-aminoprop-1-en-2-yl)-4-methylpyrrolidine-2-carboxamide;heptane

N-(3-amino-2-methylidenebut-3-enyl)-1-(3-aminoprop-1-en-2-yl)-4-methylpyrrolidine-2-carboxamide;heptane (PubChem CID 143025426) has the molecular formula C21H40N4O and a molecular weight of 364.58 g/mol. Its IUPAC name is N-(3-amino-2-methylidenebut-3-enyl)-1-(3-aminoprop-1-en-2-yl)-4-methylpyrrolidine-2-carboxamide;heptane.

Molecular Properties

Compound NameN-(3-amino-2-methylidenebut-3-enyl)-1-(3-aminoprop-1-en-2-yl)-4-methylpyrrolidine-2-carboxamide;heptane
PubChem CID143025426
Molecular FormulaC21H40N4O
Molecular Weight364.58 g/mol
Exact Mass364.32
IUPAC NameN-(3-amino-2-methylidenebut-3-enyl)-1-(3-aminoprop-1-en-2-yl)-4-methylpyrrolidine-2-carboxamide;heptane
SMILESC=C(N)C(=C)CNC(=O)C1CC(C)CN1C(=C)CN.CCCCCCC
InChIInChI=1S/C14H24N4O.C7H16/c1-9-5-13(18(8-9)11(3)6-15)14(19)17-7-10(2)12(4)16;1-3-5-7-6-4-2/h9,13H,2-8,15-16H2,1H3,(H,17,19);3-7H2,1-2H3
InChIKeyYDLDSCIYLXTUBQ-UHFFFAOYSA-N
XLogP3.29
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.58
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylidenebut-3-enyl)-1-(3-aminoprop-1-en-2-yl)-4-methylpyrrolidine-2-carboxamide;heptane?
The IUPAC name of N-(3-amino-2-methylidenebut-3-enyl)-1-(3-aminoprop-1-en-2-yl)-4-methylpyrrolidine-2-carboxamide;heptane (CID 143025426) is N-(3-amino-2-methylidenebut-3-enyl)-1-(3-aminoprop-1-en-2-yl)-4-methylpyrrolidine-2-carboxamide;heptane.
What is the SMILES notation for N-(3-amino-2-methylidenebut-3-enyl)-1-(3-aminoprop-1-en-2-yl)-4-methylpyrrolidine-2-carboxamide;heptane?
The canonical SMILES for N-(3-amino-2-methylidenebut-3-enyl)-1-(3-aminoprop-1-en-2-yl)-4-methylpyrrolidine-2-carboxamide;heptane is C=C(N)C(=C)CNC(=O)C1CC(C)CN1C(=C)CN.CCCCCCC.
What is the InChIKey of N-(3-amino-2-methylidenebut-3-enyl)-1-(3-aminoprop-1-en-2-yl)-4-methylpyrrolidine-2-carboxamide;heptane?
The InChIKey is YDLDSCIYLXTUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O.C7H16/c1-9-5-13(18(8-9)11(3)6-15)14(19)17-7-10(2)12(4)16;1-3-5-7-6-4-2/h9,13H,2-8,15-16H2,1H3,(H,17,19);3-7H2,1-2H3.
What are the key properties of N-(3-amino-2-methylidenebut-3-enyl)-1-(3-aminoprop-1-en-2-yl)-4-methylpyrrolidine-2-carboxamide;heptane?
N-(3-amino-2-methylidenebut-3-enyl)-1-(3-aminoprop-1-en-2-yl)-4-methylpyrrolidine-2-carboxamide;heptane has a molecular weight of 364.58 g/mol, XLogP of 3.29, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylidenebut-3-enyl)-1-(3-aminoprop-1-en-2-yl)-4-methylpyrrolidine-2-carboxamide;heptane is sourced from PubChem (CID 143025426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).